1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine

C15H25N3O — CID 114938579

IUPAC1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCCN(C)C1c1ccc(OC)nc1
InChIInChI=1S/C15H25N3O/c1-16-10-12-6-4-5-9-18(2)15(12)13-7-8-14(19-3)17-11-13/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3
InChIKeyNICLJNJETPCGGQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine

1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine (PubChem CID 114938579) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine
PubChem CID114938579
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCCN(C)C1c1ccc(OC)nc1
InChIInChI=1S/C15H25N3O/c1-16-10-12-6-4-5-9-18(2)15(12)13-7-8-14(19-3)17-11-13/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3
InChIKeyNICLJNJETPCGGQ-UHFFFAOYSA-N
XLogP2.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-methyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]methanamine
CID 104823699
2-(6-methoxy-3-pyridinyl)-1-methylpiperidin-3-amine
CID 114938614
2-methoxy-5-[1-methyl-3-(methylaminomethyl)azepan-2-yl]benzonitrile
CID 65336556
[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine
CID 104823698
1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 79584048
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 103348585
1-[1-ethyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 104823700
5-cyclopentyl-2-methoxypyridine
CID 102520175
N-[[3-(6-methoxy-3-pyridinyl)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 114938569
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
CID 117063213
1-cyclopropyl-2-(6-methoxy-3-pyridinyl)pyrrolidin-3-amine
CID 114938624

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine (CID 114938579) is 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine is CNCC1CCCCN(C)C1c1ccc(OC)nc1.
What is the InChIKey of 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine?
The InChIKey is NICLJNJETPCGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-16-10-12-6-4-5-9-18(2)15(12)13-7-8-14(19-3)17-11-13/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine?
1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114938579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).